SCHEMBL13593283

SCHEMBL13593283

O=Cc1ccccc1NCCCCCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.47
▸ CDC25B P30305 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13593284 0.82 HDAC1 (0.54) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL28035949 0.80 L3MBTL1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7940066 0.80 ALDH1A1 (0.50) CDC25ACDC25BALDH1A1TBXA2RHSD17B10
SCHEMBL863993 0.78 HDAC1 (0.63) CDC25ACDC25BALDH1A1TBXA2RHSD17B10
SCHEMBL5514066 0.78 ALDH1A1 (0.76) CDC25ACDC25BALDH1A1TBXA2RHSD17B10
SCHEMBL11061872 0.78 HDAC1 (0.63) CDC25ACDC25BALDH1A1TBXA2RHSD17B10
SCHEMBL5518973 0.78 ALDH1A1 (0.76) CDC25ACDC25BALDH1A1TBXA2RHSD17B10
SCHEMBL28225592 0.78 MAPT (0.56) CDC25ACDC25BALDH1A1TBXA2RHSD17B10
SCHEMBL2761779 0.78 MAPT (0.50) CDC25ACDC25BALDH1A1TBXA2RHSD17B10
SCHEMBL7285847 0.78 L3MBTL1 (0.46) ALDH1A1MEN1KMT2ATDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 — — US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP CDC25A 3728/4885CDC25B 3556/4885ALDH1A1 1939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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